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2-(1,2,3,5,6,7-hexahydro-s-indacen-2-ylmethyl)benzoic acid methyl ester
SpectraBase Compound ID 8ygozHzwFLo
InChI InChI=1S/C21H22O2/c1-23-21(22)20-8-3-2-5-17(20)9-14-10-18-12-15-6-4-7-16(15)13-19(18)11-14/h2-3,5,8,12-14H,4,6-7,9-11H2,1H3
InChIKey VHBNZKSROKKYTN-UHFFFAOYSA-N
Mol Weight 306.41 g/mol
Molecular Formula C21H22O2
Exact Mass 306.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rQHdwhfPDa
Name 2-(1,2,3,5,6,7-hexahydro-s-indacen-2-ylmethyl)benzoic acid methyl ester
CAS Registry Number 125868-37-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O2
InChI InChI=1S/C21H22O2/c1-23-21(22)20-8-3-2-5-17(20)9-14-10-18-12-15-6-4-7-16(15)13-19(18)11-14/h2-3,5,8,12-14H,4,6-7,9-11H2,1H3
InChIKey VHBNZKSROKKYTN-UHFFFAOYSA-N
Molecular Weight 306.405 g/mol
SMILES c12c(cc3c(c2)CCC3)CC(C1)Cc1c(C(=O)OC)cccc1
SPLASH splash10-0a4i-0901000000-8520e29b69b77384128c
Source of Spectrum AH-120-639-30
Synonyms Methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-2-ylmethyl)benzoate
Wiley ID 1308639